Molecule

ID:115267

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉NO₄
Molecular Mass
243.21486
Exact Mass
243.05315777
Charge
0
InChI
InChI=1S/C13H9NO4/c1-16-13(15)9-7-12(18-14-9)11-6-8-4-2-3-5-10(8)17-11/h2-7H,1H3
InChIKey
WUXRFYWEOGUFDC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1noc(c1)c1cc2c(o1)cccc2
Isomeric Smiles
c1(cc(c2oc3c(c2)cccc3)on1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1734695
LogD (pH = 7.4)
2.1734695
Log P
2.1734695
Molar Refractivity
62.8856
Polarizability
26.093782
Polar Surface Area
65.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation